TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 354.401 | Formula: C23H18N2O2
H donors: 2 H acceptors: 1 LogP: 4.13 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)CCc1c2c2C(=O)NCc2c2c1[nH]c1c2cccc1
InChi: 1S/C23H18N2O2/c1-27-13-7-9-14-12(10-13)6-8-16-19(14)21-17(11-24-23(21)26)20-15-4-2-3-5-18(15)25-22(16)20/h2-5,7,9-10,25H,6,8,11H2,1H3,(H,24,26)
InChiKey: PKGQDPNUCJTZSZ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase kinase kinase 9	Starlite/ChEMBL	References
Homo sapiens	mitogen-activated protein kinase kinase kinase 11	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	mitogen-activated protein kinase kinase kinase 9	Get druggable targets OG5_128497	All targets in OG5_128497
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_128497	All targets in OG5_128497
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	Get druggable targets OG5_128497	All targets in OG5_128497

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0345	0.5182
Echinococcus multilocularis	General substrate transporter	0.0087	0.1871	0.3481
Echinococcus multilocularis	neuropeptide s receptor	0.0024	0.0382	0.0476
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0432	1	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.0024	0.0382	0.1676
Schistosoma mansoni	neuropeptide receptor	0.0024	0.0382	0.0772
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.2208	0.4162
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0024	0.0382	0.0476
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.024	0.0189
Toxoplasma gondii	facilitative glucose transporter GT1	0.0102	0.2208	0.3197
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0553	0.1973
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0345	0.395
Echinococcus multilocularis	g protein coupled receptor	0.0024	0.0382	0.0476
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0024	0.0382	0.0772
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0014	0.0146	0.0296
Echinococcus granulosus	neuropeptide receptor	0.0024	0.0382	0.0476
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0024	0.0382	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0024	0.0382	0.0476
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0024	0.0382	0.0772
Echinococcus granulosus	g-protein coupled receptor	0.0024	0.0382	0.0476
Echinococcus granulosus	rhodopsin orphan GPCR	0.0024	0.0382	0.0476
Schistosoma mansoni	glucose transport protein	0.0102	0.2208	0.4462
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0146	0.0601
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0032	0.0552	0.2452
Echinococcus multilocularis	calcium dependent protein kinase	0.0029	0.0498	0.071
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0345	0.0696
Onchocerca volvulus		0.0024	0.0382	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Brugia malayi	hypothetical protein	0.0024	0.0382	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0146	0.0601
Echinococcus multilocularis	g protein coupled receptor	0.0024	0.0382	0.0476
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0345	0.0696
Echinococcus multilocularis	neuropeptide Y receptor	0.0024	0.0382	0.0476
Echinococcus granulosus	rhodopsin orphan GPCR	0.0024	0.0382	0.0476
Echinococcus granulosus	biogenic amine 5HT receptor	0.0024	0.0382	0.0476
Echinococcus granulosus	serotonin receptor	0.0024	0.0382	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Schistosoma mansoni	sugar transporter	0.0014	0.0146	0.0296
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0024	0.0382	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0146	0.0601
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0024	0.0382	0.0476
Schistosoma mansoni	serine/threonine protein kinase	0.0218	0.4949	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0553	0.8107
Echinococcus granulosus	g protein coupled receptor	0.0024	0.0382	0.0476
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0024	0.0382	0.0772
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0552	0.082
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0345	0.04
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0032	0.0553	0.063
Echinococcus granulosus	neuropeptide FF receptor 2	0.0024	0.0382	0.0476
Loa Loa (eye worm)	G-protein coupled receptor	0.0024	0.0382	0.1676
Echinococcus granulosus	rhodopsin orphan GPCR	0.0024	0.0382	0.0476
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0024	0.0382	0.1676
Schistosoma mansoni	protein kinase	0.0032	0.0552	0.1116
Brugia malayi	hypothetical protein	0.0024	0.0382	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Brugia malayi	putative neuropeptide receptor NPR1	0.0024	0.0382	0.1676
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0024	0.0382	0.0476
Brugia malayi	Serotonin receptor	0.0024	0.0382	0.1676
Schistosoma mansoni	glucose transport protein	0.0102	0.2208	0.4462
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0552	0.082
Loa Loa (eye worm)	neuropeptide F receptor	0.0024	0.0382	0.1676
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0024	0.0382	0.0772
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0019	0.0264	1
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0032	0.0553	0.0413
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0552	0.082
Trypanosoma brucei	glucose transporter 2A	0.0032	0.0553	0.8107
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0024	0.0382	0.0772
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.2208	0.4162
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0553	0.8107
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0024	0.0382	0.0476
Echinococcus granulosus	rhodopsin orphan GPCR	0.0024	0.0382	0.0476
Echinococcus multilocularis	serotonin receptor	0.0024	0.0382	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0146	0.0601
Onchocerca volvulus		0.0024	0.0382	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0552	0.2452
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0024	0.0382	0.0772
Echinococcus granulosus	General substrate transporter	0.0087	0.1871	0.3481
Loa Loa (eye worm)	sugar transporter	0.0014	0.0146	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.024	0.1029
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0146	0.0601
Onchocerca volvulus		0.0024	0.0382	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0552	0.082
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0024	0.0382	0.0772
Echinococcus multilocularis	fmrfamide receptor	0.0024	0.0382	0.0476
Schistosoma mansoni	neuropeptide receptor	0.0024	0.0382	0.0772
Brugia malayi	sulfakinin receptor protein	0.0024	0.0382	0.1676
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0648	1
Onchocerca volvulus		0.0024	0.0382	1
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0648	1
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0345	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0146	0.0601
Echinococcus granulosus	rhodopsin orphan GPCR	0.0024	0.0382	0.0476
Schistosoma mansoni	opsin-like receptor	0.0024	0.0382	0.0772
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0146	0.0601
Brugia malayi	AKH receptor	0.0024	0.0382	0.1676
Loa Loa (eye worm)	G-protein coupled receptor	0.0024	0.0382	0.1676
Echinococcus granulosus	allatostatin A receptor	0.0024	0.0382	0.0476
Leishmania major	glucose transporter, lmgt2	0.0032	0.0553	0.8107
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0024	0.0382	0.0476
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0032	0.0553	0.0413
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0553	0.8107
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0345	0.0201
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0024	0.0382	0.1676
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.024	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Echinococcus multilocularis	g-protein coupled receptor	0.0024	0.0382	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Brugia malayi	hypothetical protein	0.0014	0.0146	0.0601
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0529	0.1068
Brugia malayi	hypothetical protein	0.0014	0.0146	0.0601
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0032	0.0553	0.063
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0146	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0394	0.1729
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0024	0.0382	0.1676
Brugia malayi	hypothetical protein	0.0024	0.0382	0.1676
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0345	0.395
Schistosoma mansoni	hypothetical protein	0.0018	0.024	0.0485
Echinococcus multilocularis	neuropeptides capa receptor	0.0024	0.0382	0.0476
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0031	0.0529	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0024	0.0382	0.0772
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0024	0.0382	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Brugia malayi	Sugar transporter family protein	0.0102	0.2208	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0024	0.0382	0.0476
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0024	0.0382	0.0772
Echinococcus granulosus	neuropeptide receptor	0.0024	0.0382	0.0476
Brugia malayi	hypothetical protein	0.0024	0.0382	0.1676
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.002	0.0279	0.0641
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.1172	0.5276
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0032	0.0553	0.0413
Echinococcus granulosus	mitogen-activated protein kinase kinase kinase 9	0.0224	0.51	1
Brugia malayi	follicle stimulating hormone receptor	0.0024	0.0382	0.1676
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0032	0.0552	0.8094
Schistosoma mansoni	neuropeptide F-like receptor	0.0024	0.0382	0.0772
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0024	0.0382	0.0476
Brugia malayi	Melatonin receptor type 1A	0.0024	0.0382	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Onchocerca volvulus		0.0024	0.0382	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.2208	0.4162
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0024	0.0382	0.0476
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0102	0.2208	0.4162
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0146	0.0601
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.106	0.4764
Schistosoma mansoni	sugar transporter	0.0014	0.0146	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0146	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Echinococcus multilocularis	neuropeptides capa receptor	0.0024	0.0382	0.0476
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0024	0.0382	0.0476
Toxoplasma gondii	protein kinase, putative	0.0288	0.6596	1
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0553	0.1973
Echinococcus granulosus	dro:myosuppressin receptor	0.0024	0.0382	0.0476
Schistosoma mansoni	amine GPCR	0.0024	0.0382	0.0772
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0024	0.0382	0.0476
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0024	0.0382	0.0476
Schistosoma mansoni	opsin-like receptor	0.0024	0.0382	0.0772
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Echinococcus granulosus	7tm_1 domain containing protein	0.0024	0.0382	0.0476
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0013	0.0105	0.041
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0553	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Schistosoma mansoni	biogenic amine receptor	0.0024	0.0382	0.0772
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0553	0.8107
Echinococcus granulosus	neuropeptides capa receptor	0.0024	0.0382	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Echinococcus granulosus	orexin receptor type 2	0.0024	0.0382	0.0476
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0224	0.51	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0024	0.0382	0.0476
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0648	1
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0553	0.1973
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.106	0.1843
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.2208	0.4162
Schistosoma mansoni	hypothetical protein	0.0024	0.0382	0.0772
Echinococcus granulosus	neuropeptide s receptor	0.0024	0.0382	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0024	0.0382	0.0476
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0024	0.0382	0.0772
Echinococcus granulosus	tm gpcr rhodopsin	0.0024	0.0382	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0146	0.0601
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0024	0.0382	0.0772
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0553	0.8107
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0.0063	0.5
Schistosoma mansoni	hypothetical protein	0.0018	0.024	0.0485
Schistosoma mansoni	amine GPCR	0.0024	0.0382	0.0772
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0031	0.0529	0.2345
Echinococcus granulosus	calcium dependent protein kinase	0.0029	0.0498	0.071
Brugia malayi	Dopamine receptor protein 2	0.0024	0.0382	0.1676
Entamoeba histolytica	protein kinase, putative	0.0032	0.0552	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.106	0.2141
Schistosoma mansoni	hypothetical protein	0.0024	0.0382	0.0772
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.106	0.1843
Onchocerca volvulus		0.0024	0.0382	1
Brugia malayi	major facilitator superfamily protein	0.0014	0.0146	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Echinococcus multilocularis	dro:myosuppressin receptor	0.0024	0.0382	0.0476
Schistosoma mansoni	adenoreceptor	0.0024	0.0382	0.0772
Onchocerca volvulus		0.0024	0.0382	1
Brugia malayi	Cam kinase protein 1	0.0032	0.0552	0.2452
Echinococcus granulosus	tm gpcr rhodopsin	0.0024	0.0382	0.0476
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0345	0.0201
Schistosoma mansoni	neuropeptide receptor	0.0024	0.0382	0.0772
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0024	0.0382	0.0772
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.1172	0.5276
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0529	0.0772
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0553	0.1973
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0024	0.0382	0.0476
Trypanosoma brucei	glucose transporter 1E	0.0032	0.0553	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0024	0.0382	0.1676
Echinococcus multilocularis	allatostatin A receptor	0.0024	0.0382	0.0476
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0024	0.0382	0.0476
Giardia lamblia	Prolyl-tRNA synthetase	0.0031	0.0529	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.106	0.1843
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0024	0.0382	0.0476
Schistosoma mansoni	neuropeptide receptor	0.0024	0.0382	0.0772
Mycobacterium ulcerans	sugar transporter	0.0014	0.0146	0.2954
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0345	0.0307
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0024	0.0382	0.0772
Loa Loa (eye worm)	neuropeptide F receptor	0.0024	0.0382	0.1676
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.106	0.4764
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0146	0.0601
Echinococcus granulosus	neuropeptide Y receptor	0.0024	0.0382	0.0476
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0024	0.0382	0.1676
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0031	0.0529	0.1855
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0024	0.0382	0.0772
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0031	0.0529	0.2345
Brugia malayi	neuropeptide F receptor	0.0024	0.0382	0.1676
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0024	0.0382	0.0772
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0024	0.0382	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Schistosoma mansoni	neuropeptide F-like receptor	0.0024	0.0382	0.0772
Onchocerca volvulus		0.0024	0.0382	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0024	0.0382	0.0772
Plasmodium falciparum	proline--tRNA ligase	0.0036	0.0648	0.0509
Schistosoma mansoni	amine GPCR	0.0024	0.0382	0.0772
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0024	0.0382	1
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0146	0.0601
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0032	0.0553	0.0413
Schistosoma mansoni	biogenic amine receptor	0.0024	0.0382	0.0772
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.024	0.1029
Schistosoma mansoni	biogenic amine receptor	0.0024	0.0382	0.0772
Echinococcus multilocularis	neuropeptide receptor	0.0024	0.0382	0.0476
Brugia malayi	neuropeptide F receptor	0.0024	0.0382	0.1676
Schistosoma mansoni	hypothetical protein	0.0039	0.0741	0.1496
Plasmodium vivax	hexose transporter	0.0102	0.2208	0.2092
Echinococcus granulosus	somatostatin receptor	0.0024	0.0382	0.0476
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0648	1
Echinococcus multilocularis	serotonin receptor	0.0024	0.0382	0.0476
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0552	0.082
Trypanosoma cruzi	hexose transporter	0.0032	0.0553	0.8107
Brugia malayi	hypothetical protein	0.0024	0.0382	0.1676
Brugia malayi	Sugar transporter family protein	0.0014	0.0146	0.0601
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0024	0.0382	0.0476
Schistosoma mansoni	hypothetical protein	0.0024	0.0382	0.0772
Echinococcus granulosus	fmrfamide receptor	0.0024	0.0382	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Onchocerca volvulus		0.0024	0.0382	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0553	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Onchocerca volvulus		0.0024	0.0382	1
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0553	0.8107
Echinococcus granulosus	G protein coupled receptor 139	0.0024	0.0382	0.0476
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0019	0.0264	1
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0032	0.0553	0.0413
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0146	0.0601
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0024	0.0382	0.0772
Schistosoma mansoni	histamine h1 receptor	0.0024	0.0382	0.0772
Onchocerca volvulus		0.0024	0.0382	1
Leishmania major	glucose transporter, lmgt3	0.0032	0.0553	0.8107
Echinococcus granulosus	GPCR family 2	0.0018	0.024	0.0189
Onchocerca volvulus		0.0024	0.0382	1
Brugia malayi	hypothetical protein	0.0024	0.0382	0.1676
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0024	0.0382	0.1676
Brugia malayi	Sugar transporter family protein	0.0014	0.0146	0.0601
Loa Loa (eye worm)	TYRA-2 protein	0.0024	0.0382	0.1676
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0024	0.0382	0.0476
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0032	0.0553	0.0413
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0345	0.0961
Brugia malayi	GnHR receptor homolog	0.0024	0.0382	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0146	0.0601
Echinococcus granulosus	neuropeptide receptor A26	0.0024	0.0382	0.0476
Brugia malayi	major facilitator superfamily protein	0.0014	0.0146	0.0601
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0031	0.0529	0.8863
Onchocerca volvulus		0.0024	0.0382	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0024	0.0382	0.1676
Echinococcus multilocularis	g protein coupled receptor	0.0024	0.0382	0.0476
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0345	0.1505
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.024	0.0189
Leishmania major	glucose transporter, lmgt1	0.0032	0.0553	0.8107
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0024	0.0382	0.0772
Schistosoma mansoni	sugar transporter	0.0014	0.0146	0.0296
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0032	0.0553	0.063
Loa Loa (eye worm)	hypothetical protein	0.0018	0.024	0.1029
Schistosoma mansoni	myosin xvIII	0.0024	0.0382	0.0772
Onchocerca volvulus		0.0024	0.0382	1
Brugia malayi	hypothetical protein	0.0024	0.0382	0.1676
Brugia malayi	hypothetical protein	0.0024	0.0382	0.1676
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0024	0.0382	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0741	0.331
Onchocerca volvulus		0.0024	0.0382	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0024	0.0382	0.0476
Echinococcus multilocularis	sex peptide receptor	0.0024	0.0382	0.0476
Schistosoma mansoni	serine/threonine protein kinase	0.0032	0.0552	0.1116
Schistosoma mansoni	glucose transport protein	0.0102	0.2208	0.4462
Schistosoma mansoni	protein kinase	0.0032	0.0552	0.1116
Chlamydia trachomatis	lysine--tRNA ligase	0.0023	0.0345	1
Brugia malayi	putative neuropeptide receptor	0.0024	0.0382	0.1676
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0553	0.8107
Brugia malayi	RE15519p	0.0024	0.0382	0.1676
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0024	0.0382	0.0476
Brugia malayi	hypothetical protein	0.0014	0.0146	0.0601
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.024	0.1029
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0024	0.0382	0.0476
Onchocerca volvulus		0.0024	0.0382	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Echinococcus multilocularis	neuropeptide receptor	0.0024	0.0382	0.0476
Schistosoma mansoni	glucose transporter	0.0014	0.0146	0.0296
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0024	0.0382	0.0476
Brugia malayi	hypothetical protein	0.0024	0.0382	0.1676
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0024	0.0382	0.0772
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.106	0.2141
Echinococcus granulosus	hypothetical protein	0.0024	0.0382	0.0476
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0024	0.0382	1
Mycobacterium ulcerans	integral membrane transport protein	0.0014	0.0146	0.2954
Schistosoma mansoni	opsin-like receptor	0.0024	0.0382	0.0772
Echinococcus multilocularis	orexin receptor type 2	0.0024	0.0382	0.0476
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0345	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Echinococcus granulosus	g protein coupled receptor	0.0024	0.0382	0.0476
Trichomonas vaginalis	CAMK family protein kinase	0.0032	0.0552	0.1969
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.2208	0.4162
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0032	0.0553	0.8107
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0024	0.0382	0.0476
Echinococcus multilocularis	G protein coupled receptor 139	0.0024	0.0382	0.0476
Brugia malayi	hypothetical protein	0.0024	0.0382	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0146	0.0601
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0036	0.0648	0.0778
Plasmodium falciparum	protein kinase 7	0.0288	0.6596	0.6545
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0165	0.3694	0.3601
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0146	0.0601
Brugia malayi	larval opioid receptor	0.0024	0.0382	0.1676
Plasmodium vivax	proline--tRNA ligase, putative	0.0036	0.0648	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0146	0.0601
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0553	0.1973
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0024	0.0382	0.0476
Echinococcus granulosus	neuropeptide Y receptor	0.0024	0.0382	0.0476
Schistosoma mansoni	amine GPCR	0.0024	0.0382	0.0772
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.2208	1
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0165	0.3694	0.3601
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.106	0.1843
Brugia malayi	G-protein coupled receptor	0.0024	0.0382	0.1676
Entamoeba histolytica	protein kinase, putative	0.0032	0.0552	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0024	0.0382	0.0476
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0024	0.0382	0.0772
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.106	0.2141
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0024	0.0382	0.1676
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0024	0.0382	0.0772
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0553	0.8107
Schistosoma mansoni	hypothetical protein	0.0018	0.024	0.0485
Echinococcus multilocularis	somatostatin receptor	0.0024	0.0382	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0529	0.2345
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0032	0.0553	0.0413
Loa Loa (eye worm)	sugar transporter	0.0102	0.2208	1
Schistosoma mansoni	protein kinase	0.0032	0.0552	0.1116
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0146	0.0601
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.024	0.0189
Brugia malayi	Dopamine receptor	0.0024	0.0382	0.1676
Echinococcus granulosus	tm gpcr rhodopsin	0.0024	0.0382	0.0476
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0553	0.1973
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0014	0.0146	0.5
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0553	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0345	0.395
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0345	0.1505
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.2208	0.4162
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Schistosoma mansoni	sugar transporter	0.0014	0.0146	0.0296
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0345	0.3046
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0024	0.0382	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0553	0.1973
Onchocerca volvulus		0.0024	0.0382	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0552	0.082
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0529	0.0772
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0024	0.0382	0.0476
Echinococcus granulosus	g protein coupled receptor	0.0024	0.0382	0.0476
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0024	0.0382	0.0772
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0024	0.0382	0.0772
Schistosoma mansoni	growth hormone secretagogue receptor	0.0024	0.0382	0.0772
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0024	0.0382	0.1676
Trypanosoma cruzi	hexose transporter, putative	0.0017	0.0216	0.1383
Schistosoma mansoni	hypothetical protein	0.0102	0.2208	0.4462
Brugia malayi	G protein-coupled receptor	0.0024	0.0382	0.1676
Brugia malayi	G protein-coupled receptor F59B2.13	0.0024	0.0382	0.1676
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0024	0.0382	0.0772
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.2208	0.4162
Brugia malayi	ORL1-like opioid receptor	0.0024	0.0382	0.1676
Brugia malayi	Serotonin receptor	0.0024	0.0382	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0529	0.2345
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0024	0.0382	0.1676
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0648	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.0741	0.331
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0165	0.3694	0.5501
Echinococcus granulosus	rhodopsin orphan GPCR	0.0024	0.0382	0.0476
Leishmania major	protein kinase, putative	0.0032	0.0552	0.8094
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0024	0.0382	0.0476
Schistosoma mansoni	neuropeptide f receptor 76f	0.0024	0.0382	0.0772
Schistosoma mansoni	hypothetical protein	0.0018	0.024	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676
Schistosoma mansoni	amine GPCR	0.0024	0.0382	0.0772
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0553	0.8107
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0032	0.0552	0.082
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0014	0.0146	0.2954
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0529	0.1068
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1172	0.5276
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0032	0.0553	0.0413
Brugia malayi	G-protein coupled receptor	0.0024	0.0382	0.1676
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0146	0.0601
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0552	0.082
Echinococcus granulosus	neuropeptides capa receptor	0.0024	0.0382	0.0476
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0553	0.8107
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0553	0.8107
Plasmodium falciparum	hexose transporter	0.0102	0.2208	0.2092
Echinococcus granulosus	rhodopsin orphan GPCR	0.0024	0.0382	0.0476
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0032	0.0553	0.0413
Brugia malayi	Dopamine receptor protein 1	0.0024	0.0382	0.1676
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0345	0.04
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0032	0.0552	0.2452
Schistosoma mansoni	hypothetical protein	0.0024	0.0382	0.0772
Echinococcus granulosus	biogenic amine 5HT receptor	0.0024	0.0382	0.0476
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0032	0.0552	0.2452
Echinococcus multilocularis	GPCR, family 2	0.0018	0.024	0.0189
Echinococcus multilocularis	neuropeptide Y receptor	0.0024	0.0382	0.0476
Echinococcus granulosus	sex peptide receptor	0.0024	0.0382	0.0476
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.1172	0.5276
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0024	0.0382	0.0772
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0014	0.0146	0.2954
Echinococcus multilocularis	neuropeptide receptor A26	0.0024	0.0382	0.0476
Echinococcus granulosus	7TM GPCR rhodopsin	0.0024	0.0382	0.0476
Echinococcus multilocularis	fmrfamide receptor	0.0024	0.0382	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0382	0.1676

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 188 nM	Inhibition of GST-fused human MLK1	ChEMBL.	18714982
IC50 (binding)	= 274 nM	Inhibition of GST-fused human MLK3	ChEMBL.	18714982

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL492257

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 998863